pyridin-3-yl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone

C22H28N4O2 — CID 91916368

IUPACpyridin-3-yl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCC(OC2CCN(Cc3cccnc3)CC2)CC1
InChIInChI=1S/C22H28N4O2/c27-22(19-4-2-10-24-16-19)26-13-7-21(8-14-26)28-20-5-11-25(12-6-20)17-18-3-1-9-23-15-18/h1-4,9-10,15-16,20-21H,5-8,11-14,17H2
InChIKeyJQJPSLJFKLWPPE-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.76
Rot. Bonds5

About pyridin-3-yl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone

pyridin-3-yl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone (PubChem CID 91916368) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is pyridin-3-yl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone
PubChem CID91916368
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Namepyridin-3-yl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCC(OC2CCN(Cc3cccnc3)CC2)CC1
InChIInChI=1S/C22H28N4O2/c27-22(19-4-2-10-24-16-19)26-13-7-21(8-14-26)28-20-5-11-25(12-6-20)17-18-3-1-9-23-15-18/h1-4,9-10,15-16,20-21H,5-8,11-14,17H2
InChIKeyJQJPSLJFKLWPPE-UHFFFAOYSA-N
XLogP2.76
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone?
The IUPAC name of pyridin-3-yl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone (CID 91916368) is pyridin-3-yl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone?
The canonical SMILES for pyridin-3-yl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone is O=C(c1cccnc1)N1CCC(OC2CCN(Cc3cccnc3)CC2)CC1.
What is the InChIKey of pyridin-3-yl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone?
The InChIKey is JQJPSLJFKLWPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-22(19-4-2-10-24-16-19)26-13-7-21(8-14-26)28-20-5-11-25(12-6-20)17-18-3-1-9-23-15-18/h1-4,9-10,15-16,20-21H,5-8,11-14,17H2.
What are the key properties of pyridin-3-yl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone?
pyridin-3-yl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone has a molecular weight of 380.49 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone is sourced from PubChem (CID 91916368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).